Insight into the Self-Insertion of a Protein Inside the Boron Nitride Nanotube.
Journal
ACS omega
ISSN: 2470-1343
Titre abrégé: ACS Omega
Pays: United States
ID NLM: 101691658
Informations de publication
Date de publication:
15 Dec 2020
15 Dec 2020
Historique:
received:
18
10
2020
accepted:
20
11
2020
entrez:
21
12
2020
pubmed:
22
12
2020
medline:
22
12
2020
Statut:
epublish
Résumé
Nanotubes have been considered as promising candidates for protein delivery purposes due to distinct features such as their large enough volume of cavity to encapsulate the protein, providing the sustain and target release. Moreover, possessing the properties of suitable cell viabilities, and biocompatibility on the wide range of cell lines as a result of structural stability, chemical inertness, and noncovalent wrapping ability, boron nitride nanotubes (BNNTs) have caught further attention as protein nanocarriers. However, to assess the encapsulation process of the protein into the BNNT, it is vital to comprehend the protein-BNNT interaction. In the present work, the self-insertion process of the protein SmtA, metallothionein, into the BNNT has been verified by means of the molecular dynamics (MD) simulation under NPT ensemble. It was revealed that the protein was self-inserted into the BNNT through the protein-BNNT van der Waals (vdW) interaction, which descended and reached the average value of -189.63 kcal·mol
Identifiants
pubmed: 33344859
doi: 10.1021/acsomega.0c05080
pmc: PMC7745416
doi:
Types de publication
Journal Article
Langues
eng
Pagination
32051-32058Informations de copyright
© 2020 American Chemical Society.
Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
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